N-(1,3-benzothiazol-2-yl)-5-chloranyl-N-[3-(dimethylamino)propyl]-2-nitro-benzamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-5-chloranyl-N-[3-(dimethylamino)propyl]-2-nitro-benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-5-chloro-N-[3-(dimethylamino)propyl]-2-nitro-benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-5-chloro-N-[3-(dimethylamino)propyl]-2-nitrobenzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-5-chloro-N-[3-(dimethylamino)propyl]-2-nitrobenzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-5-chloro-N-[3-(dimethylamino)propyl]-2-nitro-benzamide Formula: C19H19ClN4O3S MolecularWeight: 418.89716

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN(C1=NC2=CC=CC=C2S1)C(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCCN(C1=NC2=CC=CC=C2S1)C(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H19ClN4O3S/c1-22(2)10-5-11-23(19-21-15-6-3-4-7-17(15)28-19)18(25)14-12-13(20)8-9-16(14)24(26)27/h3-4,6-9,12H,5,10-11H2,1-2H3